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PUBCHEM-ZINC05068665

 MMsINC code: MMs03196856
Type: Neutral
Formula: C11H18N2O2
SMILES:   O=C(N1CCCC1)C(=O)NC1CCCC1
InChI:   InChI=1/C11H18N2O2/c14-10(12-9-5-1-2-6-9)11(15)13-7-3-4-8-13/h9H,1-8H2,(H,12,14)

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Potential Energy
Epot(MMFF94)=44.5153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -1.33799  SlogP: 0.6676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0526089  Sterimol/B1: 2.39704  Sterimol/B2: 2.77045  Sterimol/B3: 3.69963
  Sterimol/B4: 4.90912  Sterimol/L: 14.1643 
 
 Surface and Volume Properties
  Accessible surface: 446.912  Positive charged surface: 348.682  Negative charged surface: 98.2297  Volume: 213.625
  Hydrophobic surface: 372.847  Hydrophilic surface: 74.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.